Fluctuating Hydrodynamics Approach for the Simulation of Reactive Fluids and Reaction-Diffusion Systems at Small Scales

Theoretical Biology Seminar

Meeting Details

For more information about this meeting, contact Carina Curto.

Speaker: Changho Kim, Lawrence Berkeley National Laboratory

Abstract: The coupling of hydrodynamics and chemical reaction plays a vital role in various phenomena and applications such as the biological function of a cell and the performance of a microreactor. At small scales, however, traditional approaches solving deterministic partial differential equations (e.g., the advection-reaction-diffusion equation) may fail due to nontrivial effects of thermal fluctuations. In this talk, I present a novel approach based on two valid descriptions of hydrodynamics and chemistry at small scales. Specifically, the master equation description for chemical kinetics is incorporated into fluctuating hydrodynamics equations. Using the simpler case of a reaction-diffusion system, I demonstrate in detail how accurate numerical schemes can be constructed and analyzed. Using molecular dynamics simulations, I also discuss the validity of assumptions on stochastic fluxes in fluctuating hydrodynamics. Reference: C. Kim, A. Nonaka, J.B. Bell, A.L. Garcia, and A. Donev, “Stochastic simulation of reaction-diffusion systems: A fluctuating-hydrodynamics approach”, J. Phys. Chem. 146, 124110 (2017)

Room Reservation Information

Room Number: 113 McAllister

Date: 04/18/2017

Time: 1:30pm - 2:50pm